2-methoxyethyl (5S,6R)-4-methylidene-2-oxidanylidene-6-[1-phenyl-3-(4-propan-2-yloxyphenyl)pyrazol-4-yl]-1,3-diazinane-5-carboxylate

Systemtic Name: 2-methoxyethyl (5S,6R)-4-methylidene-2-oxidanylidene-6-[1-phenyl-3-(4-propan-2-yloxyphenyl)pyrazol-4-yl]-1,3-diazinane-5-carboxylate Openeye Name: 2-methoxyethyl (4R,5S)-4-[3-(4-isopropoxyphenyl)-1-phenyl-pyrazol-4-yl]-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: (5S,6R)-4-methylene-2-oxo-6-[1-phenyl-3-(4-propan-2-yloxyphenyl)-4-pyrazolyl]-1,3-diazinane-5-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (5S,6R)-4-methylidene-2-oxo-6-[1-phenyl-3-(4-propan-2-yloxyphenyl)pyrazol-4-yl]-1,3-diazinane-5-carboxylate Traditional Name: (4R,5S)-4-[3-(4-isopropoxyphenyl)-1-phenyl-pyrazol-4-yl]-2-keto-6-methylene-hexahydropyrimidine-5-carboxylic acid 2-methoxyethyl ester Formula: C27H30N4O5 MolecularWeight: 490.5509

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C2=NN(C=C2C3C(C(=C)NC(=O)N3)C(=O)OCCOC)C4=CC=CC=C4

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C2=NN(C=C2[C@H]3[C@@H](C(=C)NC(=O)N3)C(=O)OCCOC)C4=CC=CC=C4

InChI

InChI=1S/C27H30N4O5/c1-17(2)36-21-12-10-19(11-13-21)24-22(16-31(30-24)20-8-6-5-7-9-20)25-23(18(3)28-27(33)29-25)26(32)35-15-14-34-4/h5-13,16-17,23,25H,3,14-15H2,1-2,4H3,(H2,28,29,33)/t23-,25+/m1/s1